epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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Flex mode: Preview should include full chemical names. #4500

Open NadezhdaPeskun opened 7 months ago

NadezhdaPeskun commented 7 months ago

Steps to Reproduce

  1. Switch to Macro mode

  2. Open file with Peptides ketcher (OK).zip

  3. see preview of O peptide

    Pyl O22
  4. see preview of Pyl peptide

    Pyl O2

Actual behavior One structure for O and Pyl peptides have different chemical name.

Expected behavior Preview should include full chemical names. as for O

Pyl O22

Also D-Pyl (name of Peptide in the Preview) should be changed to d-Pyrrolysine image

(Agreed with BA)

By tested:

Desktop (please complete the following information):

Ketcher version [Version 2.21.0-rc.1]

AlexeyGirin commented 6 months ago

Library name (seems - full name) should be corrected

mate-meszaros-epam commented 6 months ago

This issue is a database issue. The code is trying to use monomer full name but some cases it is loaded incorrectly. monomerFullName